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CHEBI:130501 - [(1S)-2-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:130501
ChEBI Name[(1S)-2-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC27H32FN3O2
Net Charge0
Average Mass449.570
Monoisotopic Mass449.24786
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C27H32FN3O2/c1-29-23-11-21(33-2)9-10-22(23)25-26(29)24(14-32)31(13-19-3-4-19)17-27(25)15-30(16-27)12-18-5-7-20(28)8-6-18/h5-11,19,24,32H,3-4,12-17H2,1-2H3/t24-/m1/s1
InChIKeyFXGRRILVHJOMQO-XMMPIXPASA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
[(1S)-2-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:130501) is a harmala alkaloid (CHEBI:61379)
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